3-bromo-4-chloro-N-(2-hydroxy-phenyl)-N-methyl-benzamide → 4-{2-[(3-Bromo-4-chloro-benzoyl)-methyl-amino]-phenoxy}-butyric acid tert-butyl ester
반응식
[Br:30][c:31]1[cH:32][c:33]([C:34](=[O:35])[N:36]([CH3:37])[c:38]2[c:39]([OH:44])[cH:40][cH:41][cH:42][cH:43]2)[cH:45][cH:46][c:47]1[Cl:48].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]1[cH:12][cH:13][cH:14][cH:15][c:16]1[NH:17][CH2:18][C:19](=[O:20])[c:21]1[cH:22][cH:23][c:24]([Cl:25])[c:26]([Br:27])[cH:28]1)=[O:29]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][O:44][c:39]1[c:38]([N:36]([C:34]([c:33]2[cH:32][c:31]([Br:30])[c:47]([Cl:48])[cH:46][cH:45]2)=[O:35])[CH3:37])[cH:43][cH:42][cH:41][cH:40]1)=[O:29]참가 물질
3
출처 및 근거
- ORD 기록
- ord-9634161cf83a42b6a1553f97f0b0c688
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
반응 노트
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